SCHEMBL11043852

SCHEMBL11043852

CCCCCCCC(C(CCC(=O)O)C(=O)O)S(=O)(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.47
FFAR4 Q5NUL3 2/20 0.47
GPR84 Q9NQS5 10/20 0.44
PPARG P37231 7/20 0.44
PPARD Q03181 7/20 0.44
PPARA Q07869 7/20 0.44
HDAC11 Q96DB2 5/20 0.44
TSHR P16473 4/20 0.44
PTPN1 P18031 3/20 0.44
ALDH1A1 P00352 2/20 0.44
TLR2 O60603 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
FABP4 P15090 2/20 0.44
SLC22A6 Q4U2R8 1/20 0.44
SLC22A8 Q8TCC7 1/20 0.44
MEN1 O00255 1/20 0.44
ESR1 P03372 1/20 0.44
ALOX15 P16050 1/20 0.44
PDE4A P27815 1/20 0.44
KMT2A Q03164 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4358148 0.84 GPR84 (0.49) FFAR1FFAR4GPR84PPARDTDP1
SCHEMBL16342711 0.83 FFAR4 (0.62) FFAR1FFAR4GPR84PPARGPPARD
SCHEMBL91955 0.78 FFAR4 (0.60) FFAR1FFAR4GPR84PPARGPPARD
SCHEMBL91943 0.78 FFAR4 (0.60) FFAR1FFAR4GPR84PPARGPPARD
SCHEMBL7520225 0.77 TP53 (0.54) FFAR1GPR84PPARD
SCHEMBL27984298 0.77 TP53 (0.54) FFAR1GPR84PPARD
SCHEMBL5962529 0.77 FFAR1 (0.53) FFAR1FFAR4GPR84PPARGPPARD
SCHEMBL5962617 0.77 FFAR1 (0.53) FFAR1FFAR4GPR84PPARGPPARD
SCHEMBL5962450 0.77 FFAR1 (0.53) FFAR1FFAR4GPR84PPARGPPARD
SCHEMBL12812867 0.76 FFAR4 (0.57) FFAR1FFAR4GPR84PPARGPPARD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4452704-A ADDING ACRYLIC ACID- HYDROXY ACRYLATE COPOLYMER AND SULFODICARBOXYLIC ACID ESTER ANTISCALING AGENT BETZ LABORATORIES, INC. (US) 1984-06-05 US disclosed
US-4427568-A AN ACRYLIC-HYDROXYLATED ACRYLATE COPOLYMER AND A SULPHODICARBOXYLIIC ACID ESTER TO PREVENT SCALING BETZ LABORATORIES, INC. (US) 1984-01-24 US disclosed
EP-0063197-A1 Method and composition for treating aqueous mediums BETZ EUROPE, INC. (US) 1982-10-27 EP disclosed
US-4324664-A WATER-SOLUBLE COPOLYMER OF ACRYLIC ACID OR SALT AND HYDROXYALKYL ARYLATE AND AN SULFODICARBOXYLIC ACID ESTER BETZ LABORATORIES, INC. (US) 1982-04-13 US disclosed